compound J [PMID: 21907142] [Ligand Id: 7854] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2347211
  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • beta-secretase 2/Beta secretase 2 in Human [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
GtoPdb - - 7.74 pIC50 18 nM IC50 Cell Metab (2011) 14: 365-77 [PMID:21907142]
ChEMBL Inhibition of recombinant human BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by fluorescence assay B 7.74 pIC50 18 nM IC50 Bioorg Med Chem Lett (2014) 24: 2033-2045 [PMID:24704031]
ChEMBL Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis B 7.8 pIC50 16 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
ChEMBL Inhibition of BACE1 (unknown origin) B 8.17 pIC50 6.7 nM IC50 J Med Chem (2018) 61: 5122-5137 [PMID:29733614]
ChEMBL Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assay B 8.34 pIC50 4.6 nM IC50 J Med Chem (2019) 62: 5080-5095 [PMID:31021626]
ChEMBL Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLISA technique B 9 pIC50 1 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
ChEMBL Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reduction in Abeta42 level measured after 18 hrs by sandwich ELISA B 9.03 pIC50 0.93 nM IC50 J Med Chem (2019) 62: 5080-5095 [PMID:31021626]
ChEMBL Inhibition of BACE1 (unknown origin) assessed as reduction in amyloid beta production by cell based assay B 9.08 pIC50 0.84 nM IC50 J Med Chem (2018) 61: 5122-5137 [PMID:29733614]
beta-secretase 2/Beta secretase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0]
ChEMBL Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis B 8.05 pIC50 9 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
GtoPdb - - 8.22 pIC50 6 nM IC50 Cell Metab (2011) 14: 365-77 [PMID:21907142]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]